2-(3-quinolin-8-yloxypropoxy)benzaldehyde

C19H17NO3 — CID 2994188

IUPAC2-(3-quinolin-8-yloxypropoxy)benzaldehyde
SMILESO=Cc1ccccc1OCCCOc1cccc2cccnc12
InChIInChI=1S/C19H17NO3/c21-14-16-6-1-2-9-17(16)22-12-5-13-23-18-10-3-7-15-8-4-11-20-19(15)18/h1-4,6-11,14H,5,12-13H2
InChIKeyQGNFGIXTKZKYFC-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.90
Rot. Bonds7

About 2-(3-quinolin-8-yloxypropoxy)benzaldehyde

2-(3-quinolin-8-yloxypropoxy)benzaldehyde (PubChem CID 2994188) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(3-quinolin-8-yloxypropoxy)benzaldehyde.

Molecular Properties

Compound Name2-(3-quinolin-8-yloxypropoxy)benzaldehyde
PubChem CID2994188
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-(3-quinolin-8-yloxypropoxy)benzaldehyde
SMILESO=Cc1ccccc1OCCCOc1cccc2cccnc12
InChIInChI=1S/C19H17NO3/c21-14-16-6-1-2-9-17(16)22-12-5-13-23-18-10-3-7-15-8-4-11-20-19(15)18/h1-4,6-11,14H,5,12-13H2
InChIKeyQGNFGIXTKZKYFC-UHFFFAOYSA-N
XLogP3.90
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-quinolin-8-yloxypropoxy)benzaldehyde?
The IUPAC name of 2-(3-quinolin-8-yloxypropoxy)benzaldehyde (CID 2994188) is 2-(3-quinolin-8-yloxypropoxy)benzaldehyde.
What is the SMILES notation for 2-(3-quinolin-8-yloxypropoxy)benzaldehyde?
The canonical SMILES for 2-(3-quinolin-8-yloxypropoxy)benzaldehyde is O=Cc1ccccc1OCCCOc1cccc2cccnc12.
What is the InChIKey of 2-(3-quinolin-8-yloxypropoxy)benzaldehyde?
The InChIKey is QGNFGIXTKZKYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-14-16-6-1-2-9-17(16)22-12-5-13-23-18-10-3-7-15-8-4-11-20-19(15)18/h1-4,6-11,14H,5,12-13H2.
What are the key properties of 2-(3-quinolin-8-yloxypropoxy)benzaldehyde?
2-(3-quinolin-8-yloxypropoxy)benzaldehyde has a molecular weight of 307.35 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-quinolin-8-yloxypropoxy)benzaldehyde is sourced from PubChem (CID 2994188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).